PDB ligand accession: 3J1
DrugBank: n/a
PubChem: 91754958;135566982;
ChEMBL: n/a
InChI Key: QFGWEEXXBWEZBP-UHFFFAOYSA-N
SMILES: Cn1cc(cn1)c2ccc(cc2)C3=Nc4c(cccc4C(=O)N3)CO
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Pyrazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4W5S | Download | Experimental | e4w5sA1 | ADP-ribosylation | LigPlot |